Onalespib

Molecule SVG Image

Properties Simple | Detailed

Formula C24H31N3O3
IUPAC Name (2,4-dihydroxy-5-isopropyl-phenyl)-[5-[(4-methylpiperazin-1-yl)methyl]isoindolin-2-yl]methanone
Molecular Mass 409.521 g·mol−1
Heat of Formation -372.4 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 511.0 Å 3
Surface Area 437.24 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-dihydroxy-5-isopropylphenyl)-[5-[(4-methyl-1-piperazinyl)methyl]-2-isoindolinyl]methanone
  • (2,4-dihydroxy-5-propan-2-yl-phenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone
  • (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone
InChIKey IFRGXKKQHBVPCQ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N